(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H10NOClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H10NOClF4 |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H10ClF4NO/c17-12-5-3-6-13(18)10(12)8-9-15(23)22-14-7-2-1-4-11(14)16(19,20)21/h1-9H,(H,22,23) |
| InChIK | ZIRKHMSZINCAIN-UHFFFAOYSA-N |
| TotalMolweight | 343.706 |
| Molweight | 343.706 |
| MonoisotopicMass | 343.038703 |
| CLogP | 4.6914 |
| CLogS | -5.326 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 239.96 |
| Relative PSA | 0.1021 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.5529 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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